2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide

C14H26N4O2S — CID 106594258

IUPAC2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(C)CN(CCN(C)C)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C14H26N4O2S/c1-12(2)11-18(9-8-17(3)4)21(19,20)14-6-5-7-16-13(14)10-15/h5-7,12H,8-11,15H2,1-4H3
InChIKeyYDMRDBWSNPGVDA-UHFFFAOYSA-N
MW314.46 g/mol
LogP0.75
Rot. Bonds8

About 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide

2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide (PubChem CID 106594258) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide
PubChem CID106594258
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(C)CN(CCN(C)C)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C14H26N4O2S/c1-12(2)11-18(9-8-17(3)4)21(19,20)14-6-5-7-16-13(14)10-15/h5-7,12H,8-11,15H2,1-4H3
InChIKeyYDMRDBWSNPGVDA-UHFFFAOYSA-N
XLogP0.75
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 106594065
2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide
CID 106593797
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 106593972
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 106593839
2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide
CID 106594050
2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide
CID 106594703
2-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 106594895
2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 106594255
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 106594600
2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide
CID 106593798
2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 65427020
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide (CID 106594258) is 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide is CC(C)CN(CCN(C)C)S(=O)(=O)c1cccnc1CN.
What is the InChIKey of 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide?
The InChIKey is YDMRDBWSNPGVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-12(2)11-18(9-8-17(3)4)21(19,20)14-6-5-7-16-13(14)10-15/h5-7,12H,8-11,15H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide?
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 0.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106594258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).